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Information card for entry 4313242
Preview
Coordinates | 4313242.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H16 B Cl Zr |
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Calculated formula | C11 H16 B Cl Zr |
SMILES | [Zr]123456789(Cl)([H][BH]([H]1)C)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]9[cH]8[cH]7[cH]61 |
Title of publication | Syntheses and Structures of Metallocene Methyltrihydroborate Derivativies: Cp2ZrCl{(μ-H)2BHCH3}, Cp2Zr{(μ-H)2BHCH3}2, and Cp2Ti{(μ-H)2BHCH3} |
Authors of publication | Fu-Chen Liu; Ko-Yu Chen; Jung-Hua Chen; Gene-Hsian Lee; Shie-Ming Peng |
Journal of publication | Inorganic Chemistry |
Year of publication | 2003 |
Journal volume | 42 |
Pages of publication | 1758 - 1763 |
a | 13.7921 ± 0.0003 Å |
b | 13.4227 ± 0.0003 Å |
c | 13.0868 ± 0.0003 Å |
α | 90° |
β | 91.6448 ± 0.0012° |
γ | 90° |
Cell volume | 2421.72 ± 0.09 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1002 |
Residual factor for significantly intense reflections | 0.0502 |
Weighted residual factors for significantly intense reflections | 0.1123 |
Weighted residual factors for all reflections included in the refinement | 0.1318 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4313242.html
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